4-[2-[[4-(4-bromophenyl)-3-oxidanylidene-pyrazin-2-yl]amino]ethyl]benzenesulfonamide

Systemtic Name: 4-[2-[[4-(4-bromophenyl)-3-oxidanylidene-pyrazin-2-yl]amino]ethyl]benzenesulfonamide Openeye Name: 4-[2-[[4-(4-bromophenyl)-3-oxo-pyrazin-2-yl]amino]ethyl]benzenesulfonamide CAS Name: 4-[2-[[4-(4-bromophenyl)-3-oxo-2-pyrazinyl]amino]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[[4-(4-bromophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide Traditional Name: 4-[2-[[4-(4-bromophenyl)-3-keto-pyrazin-2-yl]amino]ethyl]benzenesulfonamide Formula: C18H17BrN4O3S MolecularWeight: 449.32158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC2=NC=CN(C2=O)C3=CC=C(C=C3)Br)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CCNC2=NC=CN(C2=O)C3=CC=C(C=C3)Br)S(=O)(=O)N

InChI

InChI=1S/C18H17BrN4O3S/c19-14-3-5-15(6-4-14)23-12-11-22-17(18(23)24)21-10-9-13-1-7-16(8-2-13)27(20,25)26/h1-8,11-12H,9-10H2,(H,21,22)(H2,20,25,26)